1RAO
CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF E. COLI HPPK WITH AMP AND 6-HYDROXYMETHYLPTERIN-DIPHOSPHATE AT 1.56 ANGSTROM RESOLUTION
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-11-28 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.54178 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 79.689, 52.918, 36.560 |
| Unit cell angles | 90.00, 103.46, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.560 |
| R-factor | 0.1203 |
| Rwork | 0.127 |
| R-free | 0.18750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1QON |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.030 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.620 |
| High resolution limit [Å] | 1.560 | 1.560 |
| Rmerge | 0.066 | 0.620 |
| Number of reflections | 21012 | |
| <I/σ(I)> | 17.7407 | 1.4916 |
| Completeness [%] | 99.4 | 97.7 |
| Redundancy | 3.5064 | 3.3216 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 292 | PEG4000, ACETATE, GLYCEROL, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 292.0K |
